KINISOT.py v 2.0.1: 2023-09-28 11:09 
  Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory 
  REF: I. M. Alecu, unpublished (2011). 

                                                     Temp = 226.15K / Vib. scale factor = 0.985 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o endo_react                                        -------------------------------------------------------------------------- 
o endo_TS1                                             559.8 
o endo_react: iso @ 14                                        1.083e+02  1.077e+00  2.682e+00 
o endo_TS1: iso @ 14                                   536.7  8.706e+01  1.048e+00  2.798e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.042995   1.244152   1.027320   0.958269   1.277464   1.056482   1.349618 
                                                    --------------------------------------------------------------------------
 KIE = 4.101512 / 1.349618 = 3.039016966282311